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用于能源与环境应用的氮掺杂光活性钙铁黄长石CaFeO

Nitrogen Incorporated Photoactive Brownmillerite CaFeO for Energy and Environmental Applications.

作者信息

Vavilapalli Durga Sankar, Banik Soma, Peri Raja Gopal, B Muthuraaman, Miryala Muralidhar, Murakami Masato, Alicja Klimkowicz, K Asokan, M S Ramachandra Rao, Singh Shubra

机构信息

Crystal Growth Centre, Anna University, Chennai, 600025, India.

Synchrotron Utilization Section, Raja Ramanna Centre for Advanced Technology, Indore, 452013, India.

出版信息

Sci Rep. 2020 Feb 17;10(1):2713. doi: 10.1038/s41598-020-59454-w.

DOI:10.1038/s41598-020-59454-w
PMID:32066759
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7026084/
Abstract

CaFeO (CFO) is a potentially viable material for alternate energy applications. Incorporation of nitrogen in CaFeO (CFO-N) lattice modifies the optical and electronic properties to its advantage. Here, the electronic band structures of CFO and CFO-N were probed using Ultraviolet photoelectron spectroscopy (UPS) and UV-Visible spectroscopy. The optical bandgap of CFO reduces from 2.21 eV to 2.07 eV on post N incorporation along with a clear shift in the valence band of CFO indicating the occupation of N 2p levels over O 2p in the valence band. Similar effect is also observed in the bandgap of CFO, which is tailored upto 1.43 eV by N ion implantation. The theoretical bandgaps of CFO and CFO-N were also determined by using the Density functional theory (DFT) calculations. The photoactivity of these CFO and CFO-N was explored by organic effluent degradation under sunlight. The feasibility of utilizing CFO and CFO-N samples for energy storage applications were also investigated through specific capacitance measurements. The specific capacitance of CFO is found to increase to 224.67 Fg upon N incorporation. CFO-N is thus found to exhibit superior optical, catalytic as well as supercapacitor properties over CFO expanding the scope of brownmillerites in energy and environmental applications.

摘要

CaFeO（CFO）是一种在替代能源应用中具有潜在可行性的材料。在CaFeO（CFO-N）晶格中掺入氮会改变其光学和电子特性，使其具有优势。在此，使用紫外光电子能谱（UPS）和紫外可见光谱对CFO和CFO-N的电子能带结构进行了探测。掺入氮后，CFO的光学带隙从2.21 eV降至2.07 eV，同时CFO价带明显发生位移，表明价带中N 2p能级占据了O 2p能级。在CFO的带隙中也观察到类似效应，通过氮离子注入可将其调整至1.43 eV。还使用密度泛函理论（DFT）计算确定了CFO和CFO-N的理论带隙。通过在阳光下对有机废水进行降解，探索了这些CFO和CFO-N的光活性。还通过比电容测量研究了将CFO和CFO-N样品用于储能应用的可行性。发现掺入氮后CFO的比电容增加到224.67 F/g。因此，发现CFO-N在光学、催化以及超级电容器性能方面优于CFO，从而扩大了钙钛矿型结构在能源和环境应用中的范围。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/53ce/7026084/e0923071a8cd/41598_2020_59454_Fig13_HTML.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/53ce/7026084/5a33bd59404b/41598_2020_59454_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/53ce/7026084/0d733e7f0389/41598_2020_59454_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/53ce/7026084/03a42c6b45c1/41598_2020_59454_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/53ce/7026084/6bdfb7706eb6/41598_2020_59454_Fig8_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/53ce/7026084/39afd40c5a4d/41598_2020_59454_Fig9_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/53ce/7026084/73e729cbe63f/41598_2020_59454_Fig10_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/53ce/7026084/c3b4f3403ed0/41598_2020_59454_Fig11_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/53ce/7026084/499b2d3e92f5/41598_2020_59454_Fig12_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/53ce/7026084/e0923071a8cd/41598_2020_59454_Fig13_HTML.jpg

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